N-phenyl-3-[1-[[4-[5-(pyrrolidin-2-ylmethylamino)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide

Systemtic Name: N-phenyl-3-[1-[[4-[5-(pyrrolidin-2-ylmethylamino)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide Openeye Name: N-phenyl-3-[1-[[4-[5-(pyrrolidin-2-ylmethylamino)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide CAS Name: N-phenyl-3-[1-[[4-[5-(2-pyrrolidinylmethylamino)-1-benzimidazolyl]-2-pyrimidinyl]amino]ethyl]-1-piperidinecarboxamide IUPAC Name: N-phenyl-3-[1-[[4-[5-(pyrrolidin-2-ylmethylamino)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide Traditional Name: N-phenyl-3-[1-[[4-[5-(pyrrolidin-2-ylmethylamino)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide Formula: C30H37N9O MolecularWeight: 539.67448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCN(C1)C(=O)NC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=C4C=CC(=C5)NCC6CCCN6

Isomeric SMILES

CC(C1CCCN(C1)C(=O)NC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=C4C=CC(=C5)NCC6CCCN6

InChI

InChI=1S/C30H37N9O/c1-21(22-7-6-16-38(19-22)30(40)36-23-8-3-2-4-9-23)35-29-32-15-13-28(37-29)39-20-34-26-17-24(11-12-27(26)39)33-18-25-10-5-14-31-25/h2-4,8-9,11-13,15,17,20-22,25,31,33H,5-7,10,14,16,18-19H2,1H3,(H,36,40)(H,32,35,37)