phenyl 4-(3-azanyl-2-methyl-propyl)-1,4-diazepane-1-carboxylate

Systemtic Name: phenyl 4-(3-azanyl-2-methyl-propyl)-1,4-diazepane-1-carboxylate Openeye Name: phenyl 4-(3-amino-2-methyl-propyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(3-amino-2-methylpropyl)-1,4-diazepane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 4-(3-amino-2-methylpropyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-amino-2-methyl-propyl)-1,4-diazepane-1-carboxylic acid phenyl ester Formula: C16H25N3O2 MolecularWeight: 291.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)CN1CCCN(CC1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(CN)CN1CCCN(CC1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C16H25N3O2/c1-14(12-17)13-18-8-5-9-19(11-10-18)16(20)21-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13,17H2,1H3