4-[5-(1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1,2-diphenyl-butan-1-one

Systemtic Name: 4-[5-(1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1,2-diphenyl-butan-1-one Openeye Name: 4-[5-(benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1,2-diphenyl-butan-1-one CAS Name: 4-[5-(7-benzofuranyl)-2,3,4,7-tetrahydroazepin-1-yl]-1,2-diphenyl-1-butanone IUPAC Name: 4-[5-(1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1,2-diphenylbutan-1-one Traditional Name: 4-[5-(benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1,2-diphenyl-butan-1-one Formula: C30H29NO2 MolecularWeight: 435.55676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CCN(C1)CCC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC5=C4OC=C5

Isomeric SMILES

C1CC(=CCN(C1)CCC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC5=C4OC=C5

InChI

InChI=1S/C30H29NO2/c32-29(25-11-5-2-6-12-25)27(23-9-3-1-4-10-23)17-21-31-19-8-14-24(16-20-31)28-15-7-13-26-18-22-33-30(26)28/h1-7,9-13,15-16,18,22,27H,8,14,17,19-21H2