3-azabicyclo[2.2.0]hexa-1,3,5-triene; 4-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpent-3-ynyl)piperidine

Systemtic Name: 3-azabicyclo[2.2.0]hexa-1,3,5-triene; 4-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpent-3-ynyl)piperidine Openeye Name: 3-azabicyclo[2.2.0]hexa-1,3,5-triene; 4-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpent-3-ynyl)piperidine CAS Name: 3-azabicyclo[2.2.0]hexa-1,3,5-triene; 4-(4-chlorophenyl)-1-[5-(1-pyrrolidinyl)pent-3-ynyl]piperidine IUPAC Name: 3-azabicyclo[2.2.0]hexa-1,3,5-triene; 4-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpent-3-ynyl)piperidine Traditional Name: 3-azabicyclo[2.2.0]hexa-1,3,5-triene; 4-(4-chlorophenyl)-1-(5-pyrrolidinopent-3-ynyl)piperidine Formula: C25H30ClN3 MolecularWeight: 407.9788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCCN2CCC(CC2)C3=CC=C(C=C3)Cl.C1=CC2=NC=C21

Isomeric SMILES

C1CCN(C1)CC#CCCN2CCC(CC2)C3=CC=C(C=C3)Cl.C1=CC2=NC=C21

InChI

InChI=1S/C20H27ClN2.C5H3N/c21-20-8-6-18(7-9-20)19-10-16-23(17-11-19)13-3-1-2-12-22-14-4-5-15-22;1-2-5-4(1)3-6-5/h6-9,19H,3-5,10-17H2;1-3H