1-azanyl-N-(2-azanylethanoyl)-N-[1-[naphthalen-2-yl(phenyl)amino]-1-oxidanylidene-propan-2-yl]isoquinoline-7-carboxamide

Systemtic Name: 1-azanyl-N-(2-azanylethanoyl)-N-[1-[naphthalen-2-yl(phenyl)amino]-1-oxidanylidene-propan-2-yl]isoquinoline-7-carboxamide Openeye Name: 1-amino-N-(2-aminoacetyl)-N-[1-methyl-2-[N-(2-naphthyl)anilino]-2-oxo-ethyl]isoquinoline-7-carboxamide CAS Name: 1-amino-N-(2-amino-1-oxoethyl)-N-[1-[N-(2-naphthalenyl)anilino]-1-oxopropan-2-yl]-7-isoquinolinecarboxamide IUPAC Name: 1-amino-N-(2-aminoacetyl)-N-[1-(N-naphthalen-2-ylanilino)-1-oxopropan-2-yl]isoquinoline-7-carboxamide Traditional Name: 1-amino-N-glycyl-N-[2-keto-1-methyl-2-[N-(2-naphthyl)anilino]ethyl]isoquinoline-7-carboxamide Formula: C31H27N5O3 MolecularWeight: 517.57778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1=CC=CC=C1)C2=CC3=CC=CC=C3C=C2)N(C(=O)CN)C(=O)C4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

CC(C(=O)N(C1=CC=CC=C1)C2=CC3=CC=CC=C3C=C2)N(C(=O)CN)C(=O)C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C31H27N5O3/c1-20(35(28(37)19-32)31(39)24-12-11-22-15-16-34-29(33)27(22)18-24)30(38)36(25-9-3-2-4-10-25)26-14-13-21-7-5-6-8-23(21)17-26/h2-18,20H,19,32H2,1H3,(H2,33,34)