9-chloranyl-1-(2-dimethylaminoethyl)-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one

Systemtic Name: 9-chloranyl-1-(2-dimethylaminoethyl)-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Openeye Name: 9-chloro-1-(2-dimethylaminoethyl)-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one CAS Name: 9-chloro-1-(2-dimethylaminoethyl)-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one IUPAC Name: 9-chloro-1-(2-dimethylaminoethyl)-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Traditional Name: 9-chloro-1-(2-dimethylaminoethyl)-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Formula: C22H21ClN4O MolecularWeight: 392.88134

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC(=O)N=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4

Isomeric SMILES

CN(C)CCC1=CC(=O)N=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4O/c1-26(2)11-10-17-13-21(28)25-20-14-24-22(15-6-4-3-5-7-15)18-12-16(23)8-9-19(18)27(17)20/h3-9,12-13H,10-11,14H2,1-2H3