3-(2-azanylquinazolin-6-yl)-4-methyl-N-[2-methyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

Systemtic Name: 3-(2-azanylquinazolin-6-yl)-4-methyl-N-[2-methyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide Openeye Name: 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide CAS Name: 3-(2-amino-6-quinazolinyl)-4-methyl-N-[2-methyl-3-[(4-methyl-1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide Traditional Name: 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-[(4-methylpiperazino)methyl]phenyl]benzamide Formula: C29H32N6O MolecularWeight: 480.60398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)CN3CCN(CC3)C)C4=CC5=CN=C(N=C5C=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)CN3CCN(CC3)C)C4=CC5=CN=C(N=C5C=C4)N

InChI

InChI=1S/C29H32N6O/c1-19-7-8-22(16-25(19)21-9-10-27-24(15-21)17-31-29(30)33-27)28(36)32-26-6-4-5-23(20(26)2)18-35-13-11-34(3)12-14-35/h4-10,15-17H,11-14,18H2,1-3H3,(H,32,36)(H2,30,31,33)