3-(4-methylphenyl)-5-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylamino]-2-pyrrolidin-1-yl-pyridine-4-carboxamide

Systemtic Name: 3-(4-methylphenyl)-5-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylamino]-2-pyrrolidin-1-yl-pyridine-4-carboxamide Openeye Name: 5-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-3-(p-tolyl)-2-pyrrolidin-1-yl-pyridine-4-carboxamide CAS Name: 3-(4-methylphenyl)-5-[[[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]-2-(1-pyrrolidinyl)-4-pyridinecarboxamide IUPAC Name: 3-(4-methylphenyl)-5-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyrrolidin-1-ylpyridine-4-carboxamide Traditional Name: 5-[[3-[(4-methylpiperazino)methyl]benzoyl]amino]-3-(p-tolyl)-2-pyrrolidino-isonicotinamide Formula: C30H36N6O2 MolecularWeight: 512.64584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=CN=C2N3CCCC3)NC(=O)C4=CC(=CC=C4)CN5CCN(CC5)C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=CN=C2N3CCCC3)NC(=O)C4=CC(=CC=C4)CN5CCN(CC5)C)C(=O)N

InChI

InChI=1S/C30H36N6O2/c1-21-8-10-23(11-9-21)26-27(28(31)37)25(19-32-29(26)36-12-3-4-13-36)33-30(38)24-7-5-6-22(18-24)20-35-16-14-34(2)15-17-35/h5-11,18-19H,3-4,12-17,20H2,1-2H3,(H2,31,37)(H,33,38)