1-[(1S)-1-(4-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]hexan-1-one

Systemtic Name: 1-[(1S)-1-(4-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]hexan-1-one Openeye Name: 1-[(1S)-1-(4-benzyloxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]hexan-1-one CAS Name: 1-[(1S)-1-(4-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-hexanone IUPAC Name: 1-[(1S)-1-(4-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]hexan-1-one Traditional Name: 1-[(1S)-1-(4-benzoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]hexan-1-one Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCCN2C=CC=C2C1C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCC(=O)N1CCCN2C=CC=C2[C@@H]1C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O2/c1-2-3-5-13-26(30)29-20-9-19-28-18-8-12-25(28)27(29)23-14-16-24(17-15-23)31-21-22-10-6-4-7-11-22/h4,6-8,10-12,14-18,27H,2-3,5,9,13,19-21H2,1H3/t27-/m0/s1