N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]carbonyl-2-methyl-phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide

Systemtic Name: N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]carbonyl-2-methyl-phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide Openeye Name: N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-methyl-phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide CAS Name: N-[5-[[4-(cyclopropylmethyl)-1-piperazinyl]-oxomethyl]-2-methylphenyl]-4-[(4-phenyl-2-quinazolinyl)amino]benzamide IUPAC Name: N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide Traditional Name: N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-methyl-phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide Formula: C37H36N6O2 MolecularWeight: 596.72074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3CC3)NC(=O)C4=CC=C(C=C4)NC5=NC6=CC=CC=C6C(=N5)C7=CC=CC=C7

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3CC3)NC(=O)C4=CC=C(C=C4)NC5=NC6=CC=CC=C6C(=N5)C7=CC=CC=C7

InChI

InChI=1S/C37H36N6O2/c1-25-11-14-29(36(45)43-21-19-42(20-22-43)24-26-12-13-26)23-33(25)39-35(44)28-15-17-30(18-16-28)38-37-40-32-10-6-5-9-31(32)34(41-37)27-7-3-2-4-8-27/h2-11,14-18,23,26H,12-13,19-22,24H2,1H3,(H,39,44)(H,38,40,41)