2-piperidin-1-yl-N-[6-(2-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide hydrate

Systemtic Name: 2-piperidin-1-yl-N-[6-(2-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide hydrate Openeye Name: 2-(1-piperidyl)-N-[6-[2-(1-piperidyl)propanoylamino]acridin-3-yl]propanamide hydrate CAS Name: N-[6-[[1-oxo-2-(1-piperidinyl)propyl]amino]-3-acridinyl]-2-(1-piperidinyl)propanamide hydrate IUPAC Name: 2-piperidin-1-yl-N-[6-(2-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide hydrate Traditional Name: 2-piperidino-N-[6-(2-piperidinopropanoylamino)acridin-3-yl]propionamide hydrate Formula: C29H39N5O3 MolecularWeight: 505.65166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)NC(=O)C(C)N4CCCCC4)N5CCCCC5.O

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)NC(=O)C(C)N4CCCCC4)N5CCCCC5.O

InChI

InChI=1S/C29H37N5O2.H2O/c1-20(33-13-5-3-6-14-33)28(35)30-24-11-9-22-17-23-10-12-25(19-27(23)32-26(22)18-24)31-29(36)21(2)34-15-7-4-8-16-34;/h9-12,17-21H,3-8,13-16H2,1-2H3,(H,30,35)(H,31,36);1H2