methyl 4-[4-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]benzoate hydrochloride

Systemtic Name: methyl 4-[4-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]benzoate hydrochloride Openeye Name: methyl 4-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]benzoate hydrochloride CAS Name: 4-[4-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]benzoate hydrochloride Traditional Name: 4-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]benzoic acid methyl ester hydrochloride Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC.Cl

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC.Cl

InChI

InChI=1S/C21H24N2O3.ClH/c1-22-12-3-13-23(15-14-22)20(24)18-8-4-16(5-9-18)17-6-10-19(11-7-17)21(25)26-2;/h4-11H,3,12-15H2,1-2H3;1H