5-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-N-(oxolan-2-ylmethyl)-3-piperazin-1-yl-pyrazine-2-carboxamide

Systemtic Name: 5-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-N-(oxolan-2-ylmethyl)-3-piperazin-1-yl-pyrazine-2-carboxamide Openeye Name: 5-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-3-piperazin-1-yl-N-(tetrahydrofuran-2-ylmethyl)pyrazine-2-carboxamide CAS Name: 5-[(1,5-dimethyl-2-phenyl-3-indolyl)-oxomethyl]-N-(2-oxolanylmethyl)-3-(1-piperazinyl)-2-pyrazinecarboxamide IUPAC Name: 5-(1,5-dimethyl-2-phenylindole-3-carbonyl)-N-(oxolan-2-ylmethyl)-3-piperazin-1-ylpyrazine-2-carboxamide Traditional Name: 5-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-3-piperazino-N-(tetrahydrofurfuryl)pyrazinamide Formula: C31H34N6O3 MolecularWeight: 538.64006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)C3=CN=C(C(=N3)N4CCNCC4)C(=O)NCC5CCCO5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)C3=CN=C(C(=N3)N4CCNCC4)C(=O)NCC5CCCO5)C6=CC=CC=C6)C

InChI

InChI=1S/C31H34N6O3/c1-20-10-11-25-23(17-20)26(28(36(25)2)21-7-4-3-5-8-21)29(38)24-19-33-27(30(35-24)37-14-12-32-13-15-37)31(39)34-18-22-9-6-16-40-22/h3-5,7-8,10-11,17,19,22,32H,6,9,12-16,18H2,1-2H3,(H,34,39)