methyl 6-[[4-(diphenylmethyl)piperazin-1-yl]methyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[4-(diphenylmethyl)piperazin-1-yl]methyl]pyridine-3-carboxylate Openeye Name: methyl 6-[(4-benzhydrylpiperazin-1-yl)methyl]pyridine-3-carboxylate CAS Name: 6-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(4-benzhydrylpiperazin-1-yl)methyl]pyridine-3-carboxylate Traditional Name: 6-[(4-benzhydrylpiperazino)methyl]nicotinic acid methyl ester Formula: C25H27N3O2 MolecularWeight: 401.50078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2/c1-30-25(29)22-12-13-23(26-18-22)19-27-14-16-28(17-15-27)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,24H,14-17,19H2,1H3