2-(4-phenoxyphenyl)-9-(4-piperidin-1-ylbutoxy)-5,6-dihydro-3H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide

Systemtic Name: 2-(4-phenoxyphenyl)-9-(4-piperidin-1-ylbutoxy)-5,6-dihydro-3H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide Openeye Name: 2-(4-phenoxyphenyl)-9-[4-(1-piperidyl)butoxy]-5,6-dihydro-3H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide CAS Name: 2-(4-phenoxyphenyl)-9-[4-(1-piperidinyl)butoxy]-5,6-dihydro-3H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide IUPAC Name: 2-(4-phenoxyphenyl)-9-(4-piperidin-1-ylbutoxy)-5,6-dihydro-3H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide Traditional Name: 2-(4-phenoxyphenyl)-9-(4-piperidinobutoxy)-5,6-dihydro-3H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide Formula: C33H37N5O3 MolecularWeight: 551.67858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCOC2=CC3=C(CCN4C(=N3)C(=C(N4)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=O)N)C=C2

Isomeric SMILES

C1CCN(CC1)CCCCOC2=CC3=C(CCN4C(=N3)C(=C(N4)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=O)N)C=C2

InChI

InChI=1S/C33H37N5O3/c34-32(39)30-31(25-12-14-27(15-13-25)41-26-9-3-1-4-10-26)36-38-21-17-24-11-16-28(23-29(24)35-33(30)38)40-22-8-7-20-37-18-5-2-6-19-37/h1,3-4,9-16,23,36H,2,5-8,17-22H2,(H2,34,39)