(4-bromophenyl)-[1-(4-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methanone

Systemtic Name: (4-bromophenyl)-[1-(4-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methanone Openeye Name: [1-(4-benzyloxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(4-bromophenyl)methanone CAS Name: (4-bromophenyl)-[1-(4-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methanone IUPAC Name: (4-bromophenyl)-[1-(4-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methanone Traditional Name: [1-(4-benzoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(4-bromophenyl)methanone Formula: C28H25BrN2O2 MolecularWeight: 501.4143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C=CC=C2C(N(C1)C(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN2C=CC=C2C(N(C1)C(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H25BrN2O2/c29-24-13-9-23(10-14-24)28(32)31-19-5-18-30-17-4-8-26(30)27(31)22-11-15-25(16-12-22)33-20-21-6-2-1-3-7-21/h1-4,6-17,27H,5,18-20H2