[3-[[4-(phenylmethyl)piperidin-1-yl]methyl]phenyl]-(4-prop-2-enylpiperazin-1-yl)methanone

Systemtic Name: [3-[[4-(phenylmethyl)piperidin-1-yl]methyl]phenyl]-(4-prop-2-enylpiperazin-1-yl)methanone Openeye Name: (4-allylpiperazin-1-yl)-[3-[(4-benzyl-1-piperidyl)methyl]phenyl]methanone CAS Name: [3-[[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]-(4-prop-2-enyl-1-piperazinyl)methanone IUPAC Name: [3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-prop-2-enylpiperazin-1-yl)methanone Traditional Name: (4-allylpiperazino)-[3-[(4-benzylpiperidino)methyl]phenyl]methanone Formula: C27H35N3O MolecularWeight: 417.5863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C=CCN1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O/c1-2-13-28-16-18-30(19-17-28)27(31)26-10-6-9-25(21-26)22-29-14-11-24(12-15-29)20-23-7-4-3-5-8-23/h2-10,21,24H,1,11-20,22H2