(3E)-7-chloranyl-5-phenyl-3-(pyrrolidin-1-ylmethylidene)-4H-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-7-chloranyl-5-phenyl-3-(pyrrolidin-1-ylmethylidene)-4H-1,4-benzodiazepin-2-one Openeye Name: (3E)-7-chloro-5-phenyl-3-(pyrrolidin-1-ylmethylene)-4H-1,4-benzodiazepin-2-one CAS Name: (3E)-7-chloro-5-phenyl-3-(1-pyrrolidinylmethylidene)-4H-1,4-benzodiazepin-2-one IUPAC Name: (3E)-7-chloro-5-phenyl-3-(pyrrolidin-1-ylmethylidene)-4H-1,4-benzodiazepin-2-one Traditional Name: (3E)-7-chloro-5-phenyl-3-(pyrrolidinomethylene)-4H-1,4-benzodiazepin-2-one Formula: C20H18ClN3O MolecularWeight: 351.82942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C=C2C(=O)N=C3C=CC(=CC3=C(N2)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)/C=C/2\C(=O)N=C3C=CC(=CC3=C(N2)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H18ClN3O/c21-15-8-9-17-16(12-15)19(14-6-2-1-3-7-14)22-18(20(25)23-17)13-24-10-4-5-11-24/h1-3,6-9,12-13,22H,4-5,10-11H2/b18-13+