1-(azepan-1-yl)-4-[(3-naphthalen-1-yloxy-2-oxidanyl-propyl)amino]-2-phenyl-butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-[(3-naphthalen-1-yloxy-2-oxidanyl-propyl)amino]-2-phenyl-butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[[2-hydroxy-3-(1-naphthyloxy)propyl]amino]-2-phenyl-butan-1-one CAS Name: 1-(1-azepanyl)-4-[[2-hydroxy-3-(1-naphthalenyloxy)propyl]amino]-2-phenyl-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-phenylbutan-1-one Traditional Name: 1-(azepan-1-yl)-4-[[2-hydroxy-3-(1-naphthoxy)propyl]amino]-2-phenyl-butan-1-one Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CCNCC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CCNCC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=CC=C4

InChI

InChI=1S/C29H36N2O3/c32-25(22-34-28-16-10-14-23-13-6-7-15-26(23)28)21-30-18-17-27(24-11-4-3-5-12-24)29(33)31-19-8-1-2-9-20-31/h3-7,10-16,25,27,30,32H,1-2,8-9,17-22H2