6-azanyl-4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-pyridin-3-yl-hex-1-en-3-one

Systemtic Name: 6-azanyl-4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-pyridin-3-yl-hex-1-en-3-one Openeye Name: 6-amino-4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-(3-pyridyl)hex-1-en-3-one CAS Name: 6-amino-4-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2-(3-pyridinyl)-1-hexen-3-one IUPAC Name: 6-amino-4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-pyridin-3-ylhex-1-en-3-one Traditional Name: 6-amino-4-[(4-benzhydrylpiperazino)methyl]-2-(3-pyridyl)hex-1-en-3-one Formula: C29H34N4O MolecularWeight: 454.60646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N4O/c1-23(26-13-8-16-31-21-26)29(34)27(14-15-30)22-32-17-19-33(20-18-32)28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-13,16,21,27-28H,1,14-15,17-20,22,30H2