(6R,6aR,9S)-6-(furan-2-yl)-9-methyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R,6aR,9S)-6-(furan-2-yl)-9-methyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R,6aR,9S)-6-(2-furyl)-9-methyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6R,6aR,9S)-6-(2-furanyl)-9-methyl-5-(1-oxopropyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R,6aR,9S)-6-(furan-2-yl)-9-methyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R,6aR,9S)-6-(2-furyl)-9-methyl-5-propionyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C)C4=CC=CO4

Isomeric SMILES

CCC(=O)N1[C@H]([C@H]2C(=O)C[C@@H](C=C2NC3=CC=CC=C31)C)C4=CC=CO4

InChI

InChI=1S/C21H22N2O3/c1-3-19(25)23-16-8-5-4-7-14(16)22-15-11-13(2)12-17(24)20(15)21(23)18-9-6-10-26-18/h4-11,13,20-22H,3,12H2,1-2H3/t13-,20-,21+/m1/s1