4-azanyl-5-chloranyl-N-[1-[4-[(3-cyanopyridin-2-yl)amino]butyl]-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate

Systemtic Name: 4-azanyl-5-chloranyl-N-[1-[4-[(3-cyanopyridin-2-yl)amino]butyl]-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate Openeye Name: 4-amino-5-chloro-N-[1-[4-[(3-cyano-2-pyridyl)amino]butyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate CAS Name: 4-amino-5-chloro-N-[1-[4-[(3-cyano-2-pyridinyl)amino]butyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide hydrate IUPAC Name: 4-amino-5-chloro-N-[1-[4-[(3-cyanopyridin-2-yl)amino]butyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide hydrate Traditional Name: 4-amino-5-chloro-N-[1-[4-[(3-cyano-2-pyridyl)amino]butyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate Formula: C24H33ClN6O4 MolecularWeight: 505.00962

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCCNC3=C(C=CC=N3)C#N.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCCNC3=C(C=CC=N3)C#N.O

InChI

InChI=1S/C24H31ClN6O3.H2O/c1-33-21-13-19(27)18(25)12-17(21)24(32)30-20-7-11-31(15-22(20)34-2)10-4-3-8-28-23-16(14-26)6-5-9-29-23;/h5-6,9,12-13,20,22H,3-4,7-8,10-11,15,27H2,1-2H3,(H,28,29)(H,30,32);1H2