N-butyl-4-[2-[(3-cyanophenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoyl]-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[2-[(3-cyanophenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoyl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[2-[(3-cyanophenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoyl]-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[2-[[(3-cyanoanilino)-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[2-[(3-cyanophenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoyl]-2-methylpiperazine-1-carboxamide Traditional Name: N-butyl-4-[2-[(3-cyanophenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoyl]-2-methyl-piperazine-1-carboxamide Formula: C29H35N7O3 MolecularWeight: 529.6333

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C29H35N7O3/c1-3-4-12-31-29(39)36-14-13-35(19-20(36)2)27(37)26(16-22-18-32-25-11-6-5-10-24(22)25)34-28(38)33-23-9-7-8-21(15-23)17-30/h5-11,15,18,20,26,32H,3-4,12-14,16,19H2,1-2H3,(H,31,39)(H2,33,34,38)