2-[(6aS)-2-methoxy-11-oxidanylidene-3-phenylmethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]ethanenitrile

Systemtic Name: 2-[(6aS)-2-methoxy-11-oxidanylidene-3-phenylmethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]ethanenitrile Openeye Name: 2-[(6aS)-3-benzyloxy-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]acetonitrile CAS Name: 2-[(6aS)-2-methoxy-11-oxo-3-phenylmethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]acetonitrile IUPAC Name: 2-[(6aS)-2-methoxy-11-oxo-3-phenylmethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]acetonitrile Traditional Name: 2-[(6aS)-3-benzoxy-11-keto-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]acetonitrile Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N3C=C(CC3C=N2)CC#N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N3C=C(C[C@H]3C=N2)CC#N)OCC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3/c1-27-20-10-18-19(11-21(20)28-14-15-5-3-2-4-6-15)24-12-17-9-16(7-8-23)13-25(17)22(18)26/h2-6,10-13,17H,7,9,14H2,1H3/t17-/m0/s1