N-(3-acetamido-5-tert-butyl-2-methoxy-phenyl)-1-methyl-7-[[4-[(2S)-1-methylpyrrolidin-2-yl]carbonylpiperazin-1-yl]methyl]indole-2-carboxamide

Systemtic Name: N-(3-acetamido-5-tert-butyl-2-methoxy-phenyl)-1-methyl-7-[[4-[(2S)-1-methylpyrrolidin-2-yl]carbonylpiperazin-1-yl]methyl]indole-2-carboxamide Openeye Name: N-(3-acetamido-5-tert-butyl-2-methoxy-phenyl)-1-methyl-7-[[4-[(2S)-1-methylpyrrolidine-2-carbonyl]piperazin-1-yl]methyl]indole-2-carboxamide CAS Name: N-(3-acetamido-5-tert-butyl-2-methoxyphenyl)-1-methyl-7-[[4-[[(2S)-1-methyl-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]methyl]-2-indolecarboxamide IUPAC Name: N-(3-acetamido-5-tert-butyl-2-methoxyphenyl)-1-methyl-7-[[4-[(2S)-1-methylpyrrolidine-2-carbonyl]piperazin-1-yl]methyl]indole-2-carboxamide Traditional Name: N-(3-acetamido-5-tert-butyl-2-methoxy-phenyl)-1-methyl-7-[[4-[(2S)-1-methylprolyl]piperazino]methyl]indole-2-carboxamide Formula: C34H46N6O4 MolecularWeight: 602.76684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1OC)NC(=O)C2=CC3=C(N2C)C(=CC=C3)CN4CCN(CC4)C(=O)C5CCCN5C)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1OC)NC(=O)C2=CC3=C(N2C)C(=CC=C3)CN4CCN(CC4)C(=O)[C@@H]5CCCN5C)C(C)(C)C

InChI

InChI=1S/C34H46N6O4/c1-22(41)35-26-19-25(34(2,3)4)20-27(31(26)44-7)36-32(42)29-18-23-10-8-11-24(30(23)38(29)6)21-39-14-16-40(17-15-39)33(43)28-12-9-13-37(28)5/h8,10-11,18-20,28H,9,12-17,21H2,1-7H3,(H,35,41)(H,36,42)/t28-/m0/s1