5-(3-hex-1-ynylphenyl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(3-hex-1-ynylphenyl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(3-hex-1-ynylphenyl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 5-(3-hex-1-ynylphenyl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(3-hex-1-ynylphenyl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(3-hex-1-ynylphenyl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CC=C1)C2=NCC(=O)N(C3=CC(=C(C=C32)OC)OC)C

Isomeric SMILES

CCCCC#CC1=CC(=CC=C1)C2=NCC(=O)N(C3=CC(=C(C=C32)OC)OC)C

InChI

InChI=1S/C24H26N2O3/c1-5-6-7-8-10-17-11-9-12-18(13-17)24-19-14-21(28-3)22(29-4)15-20(19)26(2)23(27)16-25-24/h9,11-15H,5-7,16H2,1-4H3