tert-butyl 3-[(6Z)-3-(aminomethyl)-2-azanyl-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(6Z)-3-(aminomethyl)-2-azanyl-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(6Z)-2-amino-3-(aminomethyl)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate CAS Name: 3-[(6Z)-2-amino-3-(aminomethyl)-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(6Z)-2-amino-3-(aminomethyl)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[(6Z)-2-amino-3-(aminomethyl)-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=C3C=CC=CC3=O)NC(=C2CN)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=C/C(=C/3\C=CC=CC3=O)/NC(=C2CN)N

InChI

InChI=1S/C22H30N4O3/c1-22(2,3)29-21(28)26-10-6-7-14(13-26)16-11-18(25-20(24)17(16)12-23)15-8-4-5-9-19(15)27/h4-5,8-9,11,14,25H,6-7,10,12-13,23-24H2,1-3H3/b18-15-