(3S)-5-phenyl-9-piperazin-1-yl-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride

Systemtic Name: (3S)-5-phenyl-9-piperazin-1-yl-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Openeye Name: (3S)-3-isopropyl-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride CAS Name: (3S)-5-phenyl-9-(1-piperazinyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride IUPAC Name: (3S)-5-phenyl-9-piperazin-1-yl-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Traditional Name: (3S)-3-isopropyl-5-phenyl-9-piperazino-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Formula: C22H28Cl2N4O MolecularWeight: 435.38992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2=C(C=CC=C2N3CCNCC3)C(=N1)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC(C)[C@H]1C(=O)NC2=C(C=CC=C2N3CCNCC3)C(=N1)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C22H26N4O.2ClH/c1-15(2)19-22(27)25-21-17(20(24-19)16-7-4-3-5-8-16)9-6-10-18(21)26-13-11-23-12-14-26;;/h3-10,15,19,23H,11-14H2,1-2H3,(H,25,27);2*1H/t19-;;/m0../s1