6-phenyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-phenyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-phenyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-(1-oxopropyl)-6-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-phenyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-phenyl-5-propionyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2/c1-2-20(26)24-18-13-7-6-11-16(18)23-17-12-8-14-19(25)21(17)22(24)15-9-4-3-5-10-15/h3-7,9-13,21-23H,2,8,14H2,1H3