N-(5-tert-butyl-2-methoxy-phenyl)-1-methyl-7-[(4-propanoylpiperazin-1-yl)methyl]indole-2-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-methyl-7-[(4-propanoylpiperazin-1-yl)methyl]indole-2-carboxamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-methyl-7-[(4-propanoylpiperazin-1-yl)methyl]indole-2-carboxamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-1-methyl-7-[[4-(1-oxopropyl)-1-piperazinyl]methyl]-2-indolecarboxamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-1-methyl-7-[(4-propanoylpiperazin-1-yl)methyl]indole-2-carboxamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-methyl-7-[(4-propionylpiperazino)methyl]indole-2-carboxamide Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)CC2=CC=CC3=C2N(C(=C3)C(=O)NC4=C(C=CC(=C4)C(C)(C)C)OC)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)CC2=CC=CC3=C2N(C(=C3)C(=O)NC4=C(C=CC(=C4)C(C)(C)C)OC)C

InChI

InChI=1S/C29H38N4O3/c1-7-26(34)33-15-13-32(14-16-33)19-21-10-8-9-20-17-24(31(5)27(20)21)28(35)30-23-18-22(29(2,3)4)11-12-25(23)36-6/h8-12,17-18H,7,13-16,19H2,1-6H3,(H,30,35)