[1-(4-phenoxyphenyl)piperidin-4-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [1-(4-phenoxyphenyl)piperidin-4-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: (4-isopropyl-1,4-diazepan-1-yl)-[1-(4-phenoxyphenyl)-4-piperidyl]methanone CAS Name: [1-(4-phenoxyphenyl)-4-piperidinyl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone IUPAC Name: [1-(4-phenoxyphenyl)piperidin-4-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: (4-isopropyl-1,4-diazepan-1-yl)-[1-(4-phenoxyphenyl)-4-piperidyl]methanone Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCN(CC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)N1CCCN(CC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O2/c1-21(2)27-15-6-16-29(20-19-27)26(30)22-13-17-28(18-14-22)23-9-11-25(12-10-23)31-24-7-4-3-5-8-24/h3-5,7-12,21-22H,6,13-20H2,1-2H3