4-[2-(4-azanyl-3-cyano-phenyl)ethyl-propyl-amino]butylcarbamic acid; cyclohexane

Systemtic Name: 4-[2-(4-azanyl-3-cyano-phenyl)ethyl-propyl-amino]butylcarbamic acid; cyclohexane Openeye Name: 4-[2-(4-amino-3-cyano-phenyl)ethyl-propyl-amino]butylcarbamic acid; cyclohexane CAS Name: 4-[2-(4-amino-3-cyanophenyl)ethyl-propylamino]butylcarbamic acid; cyclohexane IUPAC Name: 4-[2-(4-amino-3-cyanophenyl)ethyl-propylamino]butylcarbamic acid; cyclohexane Traditional Name: 4-[2-(4-amino-3-cyano-phenyl)ethyl-propyl-amino]butylcarbamic acid; cyclohexane Formula: C23H38N4O2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCNC(=O)O)CCC1=CC(=C(C=C1)N)C#N.C1CCCCC1

Isomeric SMILES

CCCN(CCCCNC(=O)O)CCC1=CC(=C(C=C1)N)C#N.C1CCCCC1

InChI

InChI=1S/C17H26N4O2.C6H12/c1-2-9-21(10-4-3-8-20-17(22)23)11-7-14-5-6-16(19)15(12-14)13-18;1-2-4-6-5-3-1/h5-6,12,20H,2-4,7-11,19H2,1H3,(H,22,23);1-6H2