ethyl 2-[3-[2-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]phenyl]ethanoate

Systemtic Name: ethyl 2-[3-[2-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]phenyl]ethanoate Openeye Name: ethyl 2-[3-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]phenyl]acetate CAS Name: 2-[3-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]phenyl]acetate Traditional Name: 2-[3-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]phenyl]acetic acid ethyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=CC=C1)CCN2C=NC3=C2NC=NCC3O

Isomeric SMILES

CCOC(=O)CC1=CC(=CC=C1)CCN2C=NC3=C2NC=NCC3O

InChI

InChI=1S/C18H22N4O3/c1-2-25-16(24)9-14-5-3-4-13(8-14)6-7-22-12-21-17-15(23)10-19-11-20-18(17)22/h3-5,8,11-12,15,23H,2,6-7,9-10H2,1H3,(H,19,20)