9-[2-(3-oxidanylpropoxy)pyridin-4-yl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 9-[2-(3-oxidanylpropoxy)pyridin-4-yl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 9-[2-(3-hydroxypropoxy)-4-pyridyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 9-[2-(3-hydroxypropoxy)-4-pyridinyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 9-[2-(3-hydroxypropoxy)pyridin-4-yl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 9-[2-(3-hydroxypropoxy)-4-pyridyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC3=C(C=CC(=C3)C4=CC(=NC=C4)OCCCO)C(=O)N2

Isomeric SMILES

C1=CC=C2C(=C1)NC3=C(C=CC(=C3)C4=CC(=NC=C4)OCCCO)C(=O)N2

InChI

InChI=1S/C21H19N3O3/c25-10-3-11-27-20-13-15(8-9-22-20)14-6-7-16-19(12-14)23-17-4-1-2-5-18(17)24-21(16)26/h1-2,4-9,12-13,23,25H,3,10-11H2,(H,24,26)