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

Systemtic Name: 4-azanyl-5-chloranyl-N-[1-[3-[(3-cyanopyridin-2-yl)methylamino]propyl]-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate Openeye Name: 4-amino-5-chloro-N-[1-[3-[(3-cyano-2-pyridyl)methylamino]propyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate CAS Name: 4-amino-5-chloro-N-[1-[3-[(3-cyano-2-pyridinyl)methylamino]propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide hydrate IUPAC Name: 4-amino-5-chloro-N-[1-[3-[(3-cyanopyridin-2-yl)methylamino]propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide hydrate Traditional Name: 4-amino-5-chloro-N-[1-[3-[(3-cyano-2-pyridyl)methylamino]propyl]-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)CCCNCC3=C(C=CC=N3)C#N.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCNCC3=C(C=CC=N3)C#N.O

InChI

InChI=1S/C24H31ClN6O3.H2O/c1-33-22-12-19(27)18(25)11-17(22)24(32)30-20-6-10-31(15-23(20)34-2)9-4-7-28-14-21-16(13-26)5-3-8-29-21;/h3,5,8,11-12,20,23,28H,4,6-7,9-10,14-15,27H2,1-2H3,(H,30,32);1H2