4-azanyl-N-[2-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]ethyl]benzamide hydrate

Systemtic Name: 4-azanyl-N-[2-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]ethyl]benzamide hydrate Openeye Name: 4-amino-N-[2-[4-(6-methoxy-2-pyridyl)piperazin-1-yl]ethyl]benzamide hydrate CAS Name: 4-amino-N-[2-[4-(6-methoxy-2-pyridinyl)-1-piperazinyl]ethyl]benzamide hydrate IUPAC Name: 4-amino-N-[2-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]ethyl]benzamide hydrate Traditional Name: 4-amino-N-[2-[4-(6-methoxy-2-pyridyl)piperazino]ethyl]benzamide hydrate Formula: C38H52N10O5 MolecularWeight: 728.88348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)N.COC1=CC=CC(=N1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)N.O

Isomeric SMILES

COC1=CC=CC(=N1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)N.COC1=CC=CC(=N1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)N.O

InChI

InChI=1S/2C19H25N5O2.H2O/c2*1-26-18-4-2-3-17(22-18)24-13-11-23(12-14-24)10-9-21-19(25)15-5-7-16(20)8-6-15;/h2*2-8H,9-14,20H2,1H3,(H,21,25);1H2