N-(6-azanyl-4-methyl-4-pyridin-3-yl-5-pyrimidin-2-yl-cyclohexa-1,5-dien-1-yl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(6-azanyl-4-methyl-4-pyridin-3-yl-5-pyrimidin-2-yl-cyclohexa-1,5-dien-1-yl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[6-amino-4-methyl-4-(3-pyridyl)-5-pyrimidin-2-yl-cyclohexa-1,5-dien-1-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide CAS Name: N-[6-amino-4-methyl-4-(3-pyridinyl)-5-(2-pyrimidinyl)-1-cyclohexa-1,5-dienyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(6-amino-4-methyl-4-pyridin-3-yl-5-pyrimidin-2-ylcyclohexa-1,5-dien-1-yl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[6-amino-4-methyl-4-(3-pyridyl)-5-(2-pyrimidyl)cyclohexa-1,5-dien-1-yl]-4-[(4-methylpiperazino)methyl]benzamide Formula: C29H33N7O MolecularWeight: 495.61862

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C(=C1C2=NC=CC=N2)N)NC(=O)C3=CC=C(C=C3)CN4CCN(CC4)C)C5=CN=CC=C5

Isomeric SMILES

CC1(CC=C(C(=C1C2=NC=CC=N2)N)NC(=O)C3=CC=C(C=C3)CN4CCN(CC4)C)C5=CN=CC=C5

InChI

InChI=1S/C29H33N7O/c1-29(23-5-3-12-31-19-23)11-10-24(26(30)25(29)27-32-13-4-14-33-27)34-28(37)22-8-6-21(7-9-22)20-36-17-15-35(2)16-18-36/h3-10,12-14,19H,11,15-18,20,30H2,1-2H3,(H,34,37)