methyl 5-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-3-piperazin-1-yl-pyrazine-2-carboxylate

Systemtic Name: methyl 5-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-3-piperazin-1-yl-pyrazine-2-carboxylate Openeye Name: methyl 5-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-3-piperazin-1-yl-pyrazine-2-carboxylate CAS Name: 5-[(1,5-dimethyl-2-phenyl-3-indolyl)-oxomethyl]-3-(1-piperazinyl)-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,5-dimethyl-2-phenylindole-3-carbonyl)-3-piperazin-1-ylpyrazine-2-carboxylate Traditional Name: 5-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-3-piperazino-pyrazinic acid methyl ester Formula: C27H27N5O3 MolecularWeight: 469.53498

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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)OC)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)C3=CN=C(C(=N3)N4CCNCC4)C(=O)OC)C5=CC=CC=C5)C

InChI

InChI=1S/C27H27N5O3/c1-17-9-10-21-19(15-17)22(24(31(21)2)18-7-5-4-6-8-18)25(33)20-16-29-23(27(34)35-3)26(30-20)32-13-11-28-12-14-32/h4-10,15-16,28H,11-14H2,1-3H3