2-methyl-5-(4-methylpiperazin-1-yl)-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine

Systemtic Name: 2-methyl-5-(4-methylpiperazin-1-yl)-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine Openeye Name: 2-methyl-5-(4-methylpiperazin-1-yl)-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine CAS Name: 2-methyl-5-(4-methyl-1-piperazinyl)-8-(6-methyl-3-pyridazinyl)-1,3,4,5-tetrahydro-2-benzazepine IUPAC Name: 2-methyl-5-(4-methylpiperazin-1-yl)-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine Traditional Name: 2-methyl-5-(4-methylpiperazino)-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine Formula: C21H29N5 MolecularWeight: 351.48846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C=C1)C2=CC3=C(C=C2)C(CCN(C3)C)N4CCN(CC4)C

Isomeric SMILES

CC1=NN=C(C=C1)C2=CC3=C(C=C2)C(CCN(C3)C)N4CCN(CC4)C

InChI

InChI=1S/C21H29N5/c1-16-4-7-20(23-22-16)17-5-6-19-18(14-17)15-25(3)9-8-21(19)26-12-10-24(2)11-13-26/h4-7,14,21H,8-13,15H2,1-3H3