2-[7-[[4-(aminomethyl)phenyl]methylcarbamoyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate

Systemtic Name: 2-[7-[[4-(aminomethyl)phenyl]methylcarbamoyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate Openeye Name: 2-[7-[[4-(aminomethyl)phenyl]methylcarbamoyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate CAS Name: 2-[7-[[[4-(aminomethyl)phenyl]methylamino]-oxomethyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate IUPAC Name: 2-[7-[[4-(aminomethyl)phenyl]methylcarbamoyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate Traditional Name: 2-[7-[[4-(aminomethyl)benzyl]carbamoyl]-3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate Formula: C29H30N3O4- MolecularWeight: 484.5662

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=C1C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN)CCC4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

C1C(C(=O)N(CC2=C1C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN)CCC4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C29H31N3O4/c30-17-21-6-8-22(9-7-21)18-31-28(35)23-10-11-24-19-32(13-12-20-4-2-1-3-5-20)29(36)26(16-27(33)34)15-25(24)14-23/h1-11,14,26H,12-13,15-19,30H2,(H,31,35)(H,33,34)/p-1