N-[(6aS,8S)-2-(furan-2-yl)-6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-4-methoxy-benzamide

Systemtic Name: N-[(6aS,8S)-2-(furan-2-yl)-6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-4-methoxy-benzamide Openeye Name: N-[(6aS,8S)-2-(2-furyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-4-methoxy-benzamide CAS Name: N-[(6aS,8S)-2-(2-furanyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-4-methoxybenzamide IUPAC Name: N-[(6aS,8S)-2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-4-methoxybenzamide Traditional Name: N-[(6aS,8S)-2-(2-furyl)-6,11-diketo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-4-methoxy-benzamide Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2CC3C(=O)NC4=C(C=C(C=C4)C5=CC=CO5)C(=O)N3C2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N[C@H]2C[C@H]3C(=O)NC4=C(C=C(C=C4)C5=CC=CO5)C(=O)N3C2

InChI

InChI=1S/C24H21N3O5/c1-31-17-7-4-14(5-8-17)22(28)25-16-12-20-23(29)26-19-9-6-15(21-3-2-10-32-21)11-18(19)24(30)27(20)13-16/h2-11,16,20H,12-13H2,1H3,(H,25,28)(H,26,29)/t16-,20-/m0/s1