[N-[1-[(4-cyano-1-methyl-piperidin-4-yl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-C-(4-piperidin-1-ylpiperidin-1-yl)carbonimidoyl]carbamic acid

Systemtic Name: [N-[1-[(4-cyano-1-methyl-piperidin-4-yl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-C-(4-piperidin-1-ylpiperidin-1-yl)carbonimidoyl]carbamic acid Openeye Name: [N-[2-[(4-cyano-1-methyl-4-piperidyl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]-C-[4-(1-piperidyl)-1-piperidyl]carbonimidoyl]carbamic acid CAS Name: [[1-[(4-cyano-1-methyl-4-piperidinyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]imino-[4-(1-piperidinyl)-1-piperidinyl]methyl]carbamic acid IUPAC Name: [N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-(4-piperidin-1-ylpiperidin-1-yl)carbonimidoyl]carbamic acid Traditional Name: [N-[2-[(4-cyano-1-methyl-4-piperidyl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]-C-(4-piperidinopiperidino)carbonimidoyl]carbamic acid Formula: C28H47N7O3 MolecularWeight: 529.71788

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C#N)NC(=O)C(CC2CCCCC2)N=C(NC(=O)O)N3CCC(CC3)N4CCCCC4

Isomeric SMILES

CN1CCC(CC1)(C#N)NC(=O)C(CC2CCCCC2)N=C(NC(=O)O)N3CCC(CC3)N4CCCCC4

InChI

InChI=1S/C28H47N7O3/c1-33-18-12-28(21-29,13-19-33)32-25(36)24(20-22-8-4-2-5-9-22)30-26(31-27(37)38)35-16-10-23(11-17-35)34-14-6-3-7-15-34/h22-24H,2-20H2,1H3,(H,30,31)(H,32,36)(H,37,38)