azocan-1-yl-[(2S)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidin-2-yl]methanone

Systemtic Name: azocan-1-yl-[(2S)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidin-2-yl]methanone Openeye Name: [(2S)-1-(4-anilinopyrimidin-2-yl)pyrrolidin-2-yl]-(azocan-1-yl)methanone CAS Name: [(2S)-1-(4-anilino-2-pyrimidinyl)-2-pyrrolidinyl]-(1-azocanyl)methanone IUPAC Name: [(2S)-1-(4-anilinopyrimidin-2-yl)pyrrolidin-2-yl]-(azocan-1-yl)methanone Traditional Name: [(2S)-1-(4-anilinopyrimidin-2-yl)pyrrolidin-2-yl]-(azocan-1-yl)methanone Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CCC1)C(=O)[C@@H]2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O/c28-21(26-15-7-2-1-3-8-16-26)19-12-9-17-27(19)22-23-14-13-20(25-22)24-18-10-5-4-6-11-18/h4-6,10-11,13-14,19H,1-3,7-9,12,15-17H2,(H,23,24,25)/t19-/m0/s1