N-[5-(azepan-1-yl)-1-(2-methylpropyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide

Systemtic Name: N-[5-(azepan-1-yl)-1-(2-methylpropyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Openeye Name: N-[5-(azepan-1-yl)-1-isobutyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide CAS Name: N-[5-(1-azepanyl)-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide IUPAC Name: N-[5-(azepan-1-yl)-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Traditional Name: N-[5-(azepan-1-yl)-1-isobutyl-2-keto-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Formula: C28H33N5O2 MolecularWeight: 471.59392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3)N5CCCCCC5

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3)N5CCCCCC5

InChI

InChI=1S/C28H33N5O2/c1-19(2)18-33-24-14-8-6-12-21(24)26(32-15-9-3-4-10-16-32)30-25(28(33)35)31-27(34)23-17-20-11-5-7-13-22(20)29-23/h5-8,11-14,17,19,25,29H,3-4,9-10,15-16,18H2,1-2H3,(H,31,34)