2-[4-(phenylmethyl)piperidin-1-yl]-1-[3-(propan-2-ylamino)propanoyl]indole-5-carboxamide

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-yl]-1-[3-(propan-2-ylamino)propanoyl]indole-5-carboxamide Openeye Name: 2-(4-benzyl-1-piperidyl)-1-[3-(isopropylamino)propanoyl]indole-5-carboxamide CAS Name: 1-[1-oxo-3-(propan-2-ylamino)propyl]-2-[4-(phenylmethyl)-1-piperidinyl]-5-indolecarboxamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-1-[3-(propan-2-ylamino)propanoyl]indole-5-carboxamide Traditional Name: 2-(4-benzylpiperidino)-1-[3-(isopropylamino)propanoyl]indole-5-carboxamide Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCC(=O)N1C2=C(C=C(C=C2)C(=O)N)C=C1N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)NCCC(=O)N1C2=C(C=C(C=C2)C(=O)N)C=C1N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-19(2)29-13-10-26(32)31-24-9-8-22(27(28)33)17-23(24)18-25(31)30-14-11-21(12-15-30)16-20-6-4-3-5-7-20/h3-9,17-19,21,29H,10-16H2,1-2H3,(H2,28,33)