1-(2-azanyl-3,3-dimethyl-butanoyl)-2-[2-azanyl-2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carbaldehyde

Systemtic Name: 1-(2-azanyl-3,3-dimethyl-butanoyl)-2-[2-azanyl-2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Openeye Name: 1-(2-amino-3,3-dimethyl-butanoyl)-2-[2-amino-2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carbaldehyde CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-2-[2-amino-2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxaldehyde IUPAC Name: 1-(2-amino-3,3-dimethylbutanoyl)-2-[2-amino-2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-2-[2-amino-2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)C1C2=CC=CC=C2CC(N1CC(C3=CN=CN3)N)C=O)N

Isomeric SMILES

CC(C)(C)C(C(=O)C1C2=CC=CC=C2CC(N1CC(C3=CN=CN3)N)C=O)N

InChI

InChI=1S/C21H29N5O2/c1-21(2,3)20(23)19(28)18-15-7-5-4-6-13(15)8-14(11-27)26(18)10-16(22)17-9-24-12-25-17/h4-7,9,11-12,14,16,18,20H,8,10,22-23H2,1-3H3,(H,24,25)