4-(3-nitrophenyl)-2-phenyl-5-(piperazin-1-ylmethyl)pyrimidine

Systemtic Name: 4-(3-nitrophenyl)-2-phenyl-5-(piperazin-1-ylmethyl)pyrimidine Openeye Name: 4-(3-nitrophenyl)-2-phenyl-5-(piperazin-1-ylmethyl)pyrimidine CAS Name: 4-(3-nitrophenyl)-2-phenyl-5-(1-piperazinylmethyl)pyrimidine IUPAC Name: 4-(3-nitrophenyl)-2-phenyl-5-(piperazin-1-ylmethyl)pyrimidine Traditional Name: 4-(3-nitrophenyl)-2-phenyl-5-(piperazinomethyl)pyrimidine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CN=C(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)CC2=CN=C(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2/c27-26(28)19-8-4-7-17(13-19)20-18(15-25-11-9-22-10-12-25)14-23-21(24-20)16-5-2-1-3-6-16/h1-8,13-14,22H,9-12,15H2