3-(3-chloranylpropyl)-7,8-dimethoxy-1-(phenylmethyl)-4,5-dihydro-1,3-benzodiazepin-2-one

Systemtic Name: 3-(3-chloranylpropyl)-7,8-dimethoxy-1-(phenylmethyl)-4,5-dihydro-1,3-benzodiazepin-2-one Openeye Name: 1-benzyl-3-(3-chloropropyl)-7,8-dimethoxy-4,5-dihydro-1,3-benzodiazepin-2-one CAS Name: 3-(3-chloropropyl)-7,8-dimethoxy-1-(phenylmethyl)-4,5-dihydro-1,3-benzodiazepin-2-one IUPAC Name: 1-benzyl-3-(3-chloropropyl)-7,8-dimethoxy-4,5-dihydro-1,3-benzodiazepin-2-one Traditional Name: 1-benzyl-3-(3-chloropropyl)-7,8-dimethoxy-4,5-dihydro-1,3-benzodiazepin-2-one Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN(C(=O)N2CC3=CC=CC=C3)CCCCl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN(C(=O)N2CC3=CC=CC=C3)CCCCl)OC

InChI

InChI=1S/C21H25ClN2O3/c1-26-19-13-17-9-12-23(11-6-10-22)21(25)24(18(17)14-20(19)27-2)15-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3