tert-butyl 6-[(4-propan-2-yl-1,4-diazepan-1-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-[(4-propan-2-yl-1,4-diazepan-1-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-(4-isopropyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[oxo-(4-propan-2-yl-1,4-diazepan-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(4-propan-2-yl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-(4-isopropyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H35N3O3 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCN(CC1)C(=O)C2=CC3=C(CN(CC3)C(=O)OC(C)(C)C)C=C2

Isomeric SMILES

CC(C)N1CCCN(CC1)C(=O)C2=CC3=C(CN(CC3)C(=O)OC(C)(C)C)C=C2

InChI

InChI=1S/C23H35N3O3/c1-17(2)24-10-6-11-25(14-13-24)21(27)19-7-8-20-16-26(12-9-18(20)15-19)22(28)29-23(3,4)5/h7-8,15,17H,6,9-14,16H2,1-5H3