7-chloranyl-1-[3-(oxan-2-yloxy)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-1-[3-(oxan-2-yloxy)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-phenyl-1-(3-tetrahydropyran-2-yloxypropyl)-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-1-[3-(2-oxanyloxy)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-1-[3-(oxan-2-yloxy)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-phenyl-1-(3-tetrahydropyran-2-yloxypropyl)-3H-1,4-benzodiazepin-2-one Formula: C23H25ClN2O3 MolecularWeight: 412.9092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)OCCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H25ClN2O3/c24-18-10-11-20-19(15-18)23(17-7-2-1-3-8-17)25-16-21(27)26(20)12-6-14-29-22-9-4-5-13-28-22/h1-3,7-8,10-11,15,22H,4-6,9,12-14,16H2