N-butyl-4-chloranyl-N-[2-[2-(1H-indol-3-yl)ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-butyl-4-chloranyl-N-[2-[2-(1H-indol-3-yl)ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxo-ethyl]-N-butyl-4-chloro-3-nitro-benzamide CAS Name: N-butyl-4-chloro-N-[2-[2-(1H-indol-3-yl)ethyl-(phenylmethyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butyl-4-chloro-3-nitrobenzamide Traditional Name: N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-keto-ethyl]-N-butyl-4-chloro-3-nitro-benzamide Formula: C30H31ClN4O4 MolecularWeight: 547.04454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CCC1=CNC2=CC=CC=C21)CC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)N(CCC1=CNC2=CC=CC=C21)CC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C30H31ClN4O4/c1-2-3-16-34(30(37)23-13-14-26(31)28(18-23)35(38)39)21-29(36)33(20-22-9-5-4-6-10-22)17-15-24-19-32-27-12-8-7-11-25(24)27/h4-14,18-19,32H,2-3,15-17,20-21H2,1H3