2-[3-naphthalen-2-yl-2-[[3-naphthalen-2-yl-2-(piperidin-4-ylcarbonylamino)propanoyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[3-naphthalen-2-yl-2-[[3-naphthalen-2-yl-2-(piperidin-4-ylcarbonylamino)propanoyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[3-(2-naphthyl)-2-[[3-(2-naphthyl)-2-(piperidine-4-carbonylamino)propanoyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[3-(2-naphthalenyl)-2-[[3-(2-naphthalenyl)-1-oxo-2-[[oxo(4-piperidinyl)methyl]amino]propyl]amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[3-naphthalen-2-yl-2-[[3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propanoyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[2-[[2-(isonipecotoylamino)-3-(2-naphthyl)propanoyl]amino]-3-(2-naphthyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C42H43N5O4 MolecularWeight: 681.82192

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N6CC7=CC=CC=C7CC6C(=O)N

Isomeric SMILES

C1CNCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N6CC7=CC=CC=C7CC6C(=O)N

InChI

InChI=1S/C42H43N5O4/c43-39(48)38-25-34-11-5-6-12-35(34)26-47(38)42(51)37(24-28-14-16-30-8-2-4-10-33(30)22-28)46-41(50)36(45-40(49)31-17-19-44-20-18-31)23-27-13-15-29-7-1-3-9-32(29)21-27/h1-16,21-22,31,36-38,44H,17-20,23-26H2,(H2,43,48)(H,45,49)(H,46,50)