4-[(2S)-2-azanyl-3-[3-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-[(2S)-2-azanyl-3-[3-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-[(2S)-2-amino-3-[3-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxo-propyl]benzamide CAS Name: 4-[(2S)-2-amino-3-[3-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]benzamide IUPAC Name: 4-[(2S)-2-amino-3-[3-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]benzamide Traditional Name: 4-[(2S)-2-amino-3-[3-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-keto-propyl]benzamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CC=C(C=C3)C(=O)N)N)C4=NC=CN4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC=C(C=C3)C(=O)N)N)C4=NC=CN4

InChI

InChI=1S/C22H23N5O2/c23-18(11-14-5-7-15(8-6-14)20(24)28)22(29)27-13-17-4-2-1-3-16(17)12-19(27)21-25-9-10-26-21/h1-10,18-19H,11-13,23H2,(H2,24,28)(H,25,26)/t18-,19?/m0/s1