[6-(3-phenylpiperazin-1-yl)pyridin-3-yl]-(3,3,5-trimethylazepan-1-yl)methanone

Systemtic Name: [6-(3-phenylpiperazin-1-yl)pyridin-3-yl]-(3,3,5-trimethylazepan-1-yl)methanone Openeye Name: [6-(3-phenylpiperazin-1-yl)-3-pyridyl]-(3,3,5-trimethylazepan-1-yl)methanone CAS Name: [6-(3-phenyl-1-piperazinyl)-3-pyridinyl]-(3,3,5-trimethyl-1-azepanyl)methanone IUPAC Name: [6-(3-phenylpiperazin-1-yl)pyridin-3-yl]-(3,3,5-trimethylazepan-1-yl)methanone Traditional Name: [6-(3-phenylpiperazino)-3-pyridyl]-(3,3,5-trimethylazepan-1-yl)methanone Formula: C25H34N4O MolecularWeight: 406.56366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4

InChI

InChI=1S/C25H34N4O/c1-19-11-13-29(18-25(2,3)15-19)24(30)21-9-10-23(27-16-21)28-14-12-26-22(17-28)20-7-5-4-6-8-20/h4-10,16,19,22,26H,11-15,17-18H2,1-3H3