(S)-(7-chloranyl-1-nitroso-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-phenyl-methanol

Systemtic Name: (S)-(7-chloranyl-1-nitroso-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-phenyl-methanol Openeye Name: (S)-(7-chloro-1-nitroso-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-phenyl-methanol CAS Name: (S)-(7-chloro-1-nitroso-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-phenylmethanol IUPAC Name: (S)-(7-chloro-1-nitroso-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-phenylmethanol Traditional Name: (S)-(7-chloro-1-nitroso-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-phenyl-methanol Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)N=O)C(C4=CC=CC=C4)O

Isomeric SMILES

C1C(N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)N=O)[C@H](C4=CC=CC=C4)O

InChI

InChI=1S/C22H18ClN3O2/c23-17-11-12-19-18(13-17)21(15-7-3-1-4-8-15)24-14-20(26(19)25-28)22(27)16-9-5-2-6-10-16/h1-13,20,22,27H,14H2/t20?,22-/m0/s1