1-(azepan-1-yl)-4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-methyl-amino]-2-phenyl-butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-methyl-amino]-2-phenyl-butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[(5-methoxychroman-3-yl)-methyl-amino]-2-phenyl-butan-1-one CAS Name: 1-(1-azepanyl)-4-[(5-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-methylamino]-2-phenyl-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-methylamino]-2-phenylbutan-1-one Traditional Name: 1-(azepan-1-yl)-4-[(5-methoxychroman-3-yl)-methyl-amino]-2-phenyl-butan-1-one Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(C1=CC=CC=C1)C(=O)N2CCCCCC2)C3CC4=C(C=CC=C4OC)OC3

Isomeric SMILES

CN(CCC(C1=CC=CC=C1)C(=O)N2CCCCCC2)C3CC4=C(C=CC=C4OC)OC3

InChI

InChI=1S/C27H36N2O3/c1-28(22-19-24-25(31-2)13-10-14-26(24)32-20-22)18-15-23(21-11-6-5-7-12-21)27(30)29-16-8-3-4-9-17-29/h5-7,10-14,22-23H,3-4,8-9,15-20H2,1-2H3